1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea

C14H16N2O2S — CID 759714

IUPAC1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-17-12-7-5-11(6-8-12)16-14(19)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H2,15,16,19)
InChIKeyDSSWDIISKIJCKO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea

1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea (PubChem CID 759714) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea
PubChem CID759714
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea
SMILESCCOc1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-17-12-7-5-11(6-8-12)16-14(19)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H2,15,16,19)
InChIKeyDSSWDIISKIJCKO-UHFFFAOYSA-N
XLogP3.16
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
1-(2-Chlorophenyl)-3-(furan-2-ylmethyl)thiourea
CID 2796408
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
5-(2-Furanylmethyl)tetrahydro-1-phenyl-1,3,5-triazine-2(1H)-thione
CID 754478
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
N-(4-chlorophenyl)-N'-(2-furylmethyl)thiourea
CID 841941
N-[(furan-2-yl)methyl]aniline
CID 57541
1-(3-Furan-2-yl-acryloyl)-3-(3-methoxy-phenyl)-thiourea
CID 776928
(E)-3-(furan-2-yl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
CID 835019
N-(3,4-dimethoxyphenyl)-N'-(2-furylmethyl)urea
CID 970043

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea (CID 759714) is 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea is CCOc1ccc(NC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The InChIKey is DSSWDIISKIJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-17-12-7-5-11(6-8-12)16-14(19)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H2,15,16,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea has a molecular weight of 276.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 759714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).